SCHEMBL172419

SCHEMBL172419

CCOC(=O)C1CSCC1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
GAA P10253 4/20 0.45
HSD17B10 Q99714 3/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 2/20 0.45
TLR4 O00206 1/20 0.41
RAB9A P51151 1/20 0.40
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
RECQL P46063 1/20 0.37
POLB P06746 1/20 0.35
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4944675 0.83 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AGAAHSD17B10
SCHEMBL8489133 0.83 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AGAAHSD17B10
SCHEMBL9793537 0.83 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AGAAHSD17B10
SCHEMBL189981 0.79 KMT2A (0.38) ALDH1A1KMT2AHSD17B10HPGDKDM4E
SCHEMBL3196831 0.75 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AGAAHSD17B10
SCHEMBL11198763 0.72 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AGAAHSD17B10
SCHEMBL9877944 0.72 KDM4E (0.38) ALDH1A1MEN1KMT2AGAAHSD17B10
SCHEMBL1134463 0.72 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AGAAHSD17B10
SCHEMBL1846269 0.71 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AGAAHSD17B10
SCHEMBL4080364 0.71 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AGAAHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303040-B2 Substituted piperazines as AKT inhibitors ARRAY BIOPHARMA INC. (US) 2016-04-05 US disclosed
US-20120329808-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-12-27 US disclosed
EP-1663994-B1 TETRAHYDROQUINAZOLINE COMPOUNDS AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS VERTEX PHARMA (US) 2012-03-07 EP disclosed
US-20120040935-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS VERTEX PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-20120040935-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS VERTEX PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
EP-2054418-B1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2011-11-09 EP disclosed
US-7968545-B2 Compositions useful as inhibitors of voltage-gated ion channels VERTEX PHARMACEUTICALS INC. (US) 2011-06-28 US disclosed
US-7947690-B2 Insulin secretagogue and hypoglycemic agent; pyrimidine derivatives condensed with a non-aromatic ring selected from dihydrothiophene, dihydrofuran, cycloalkane moiety; 1-[2-(4-chloro-2,5-difluorophenyl)-6,6-dioxido-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]-4-(3-hydroxypropyl)piperidin-4-ol for example ASTELLAS PHARMA INC. (JP) 2011-05-24 US disclosed
EP-2054418-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2009-05-06 EP disclosed
US-20080070896-A1 Pyrimidine Derivative Condensed with a Non-Aromatic Ring ASTELLAS PHARMA INC. (JP) 2008-03-20 US disclosed
WO-2008006039-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-01-10 WO disclosed
EP-1803710-A1 PYRIMIDINE DERIVATIVE CONDENSED WITH NON-AROMATIC RING Astellas Pharma Inc. (JP) 2007-07-04 EP disclosed
WO-2005014558-A1 CONDENSED PYRAMIDINE COMPOUNDS AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-02-17 WO disclosed
EP-0344983-B1 PROCESS FOR PREPARING 2- AND 4-ALKOXYCARBONYL THIOLAN-3-ONES JOHN WYETH & BROTHER LIMITED (GB) 1993-09-15 EP disclosed
EP-0344983-A1 Process for preparing 2- and 4-alkoxycarbonyl thiolan-3-ones JOHN WYETH & BROTHER LIMITED (GB) 1989-12-06 EP disclosed
US-4437878-A Dihydrothiophenecarboxylates and their use for controlling undersirable plant growth BASF AKTIENGESELLSCHAFT (DE) 1984-03-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120040935-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS KCNQ1, KCNN2, KCNH3 ALDH1A1 3086/4885MEN1 2441/4885KMT2A 3069/4885
US-20080070896-A1 Pyrimidine Derivative Condensed with a Non-Aromatic Ring GPR119, IRS1, NONO ALDH1A1 1052/4885MEN1 4155/4885KMT2A 2311/4885
US-20120329808-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS DTYMK, TK1, PIK3CA ALDH1A1 3262/4885MEN1 3082/4885KMT2A 1909/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.